Information card for entry 2006297

Structure parameters

• Chemical name: Cyclotetra[iodo-methylcyclopentadienyl-μ-oxo-titanium (IV)]
• Formula: C24 H28 I4 O4 Ti4
• Calculated formula: C24 H28 I4 O4 Ti4
• SMILES: [Ti]1(I)([cH]23)([cH]24)([cH]32)([cH]23)([c]34C)O[Ti](I)([cH]23)([cH]24)([cH]32)([cH]23)([c]34C)O[Ti](I)([cH]23)([cH]24)([cH]32)([cH]23)([c]34C)O[Ti](I)([cH]23)([cH]24)([cH]32)([cH]23)([c]34C)O1
• Title of publication: <i>cyclo</i>-Tetrakis(μ-oxo)tetrakis[iodo(η^5^-methylcyclopentadienyl)titanium(IV)]
• Authors of publication: Kienitz, Carsten O.; Thöne, Carsten; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 843 - 845
• a: 19.239 ± 0.003 Å
• b: 10.5 ± 0.002 Å
• c: 15.696 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3170.7 ± 0.9 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections: 0.186
• Weighted residual factors for significantly intense reflections: 0.1578
• Goodness-of-fit parameter for all reflections: 1.018
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No